1-(9-bromononyl)pyrrolidin-3-ol

C13H26BrNO — CID 105343751

IUPAC1-(9-bromononyl)pyrrolidin-3-ol
SMILESOC1CCN(CCCCCCCCCBr)C1
InChIInChI=1S/C13H26BrNO/c14-9-6-4-2-1-3-5-7-10-15-11-8-13(16)12-15/h13,16H,1-12H2
InChIKeyPCFZIRLEHANTIX-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.18
Rot. Bonds9

About 1-(9-bromononyl)pyrrolidin-3-ol

1-(9-bromononyl)pyrrolidin-3-ol (PubChem CID 105343751) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-(9-bromononyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(9-bromononyl)pyrrolidin-3-ol
PubChem CID105343751
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name1-(9-bromononyl)pyrrolidin-3-ol
SMILESOC1CCN(CCCCCCCCCBr)C1
InChIInChI=1S/C13H26BrNO/c14-9-6-4-2-1-3-5-7-10-15-11-8-13(16)12-15/h13,16H,1-12H2
InChIKeyPCFZIRLEHANTIX-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646
1-(3-bromopropyl)-4-methylpiperidin-3-ol
CID 102964330
(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
CID 34177188
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
(3S)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-ol
CID 103412041
5-(3-hydroxypyrrolidin-1-yl)pentanehydrazide
CID 63572255
3-(4-bromobutyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175266
1-octylpiperidin-4-ol
CID 62022103
1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-ol
CID 131963195
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
CID 59334347

Frequently Asked Questions

What is the IUPAC name of 1-(9-bromononyl)pyrrolidin-3-ol?
The IUPAC name of 1-(9-bromononyl)pyrrolidin-3-ol (CID 105343751) is 1-(9-bromononyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(9-bromononyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(9-bromononyl)pyrrolidin-3-ol is OC1CCN(CCCCCCCCCBr)C1.
What is the InChIKey of 1-(9-bromononyl)pyrrolidin-3-ol?
The InChIKey is PCFZIRLEHANTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c14-9-6-4-2-1-3-5-7-10-15-11-8-13(16)12-15/h13,16H,1-12H2.
What are the key properties of 1-(9-bromononyl)pyrrolidin-3-ol?
1-(9-bromononyl)pyrrolidin-3-ol has a molecular weight of 292.26 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-bromononyl)pyrrolidin-3-ol is sourced from PubChem (CID 105343751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).